
 CID 44388711

675679  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CID 44388711

>  <PubChem CID>
44388711

>  <Formula>
C208H349N55O62S

>  <Molecular Weight>
4644.463000

>  <IUPAC Name>


>  <XlogP>
-16.8

>  <Hydrogen Bond Donors>
60

>  <Hydrogen Bond Acceptors>
69

>  <Canonical SMILES>
CCC(C)C(C(=O)NC(CO)C(=O)NC(C(C)CC)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CCSC)C(=O)NC(C(C)CC)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)CC)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(C(C)O)C(=O)NC(C(C)CC)C(=O)O)NC(=O)C3CCCN3C(=O)C4CCCN4C(=O)CNC(=O)C5CCC(=O)N5

>  <Isomeric SMILES>
CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]4CCCN4C(=O)CNC(=O)[C@@H]5CCC(=O)N5

>  <InChI Std. ID>
InChI=1S/C208H349N55O62S/c1-29-108(20)162(255-183(301)131(67-75-159(280)281)241-200(318)163(109(21)30-2)256-184(302)132(76-86-326-28)239-175(293)121(50-37-41-80-212)228-176(294)122(51-42-81-222-207(218)219)232-185(303)133(87-101(6)7)244-187(305)135(89-103(10)11)246-189(307)137(91-105(14)15)248-191(309)139(94-116-56-58-117(266)59-57-116)251-197(315)146-53-44-84-262(146)204(322)144(93-107(18)19)253-194(312)142(97-160(282)283)252-201(319)164(110(22)31-3)257-196(314)145(100-264)254-202(320)165(111(23)32-4)258-198(316)147-54-45-85-263(147)205(323)148-55-46-83-261(148)155(273)99-224-170(288)124-63-71-154(272)227-124)199(317)240-130(66-74-158(278)279)182(300)231-119(48-35-39-78-210)173(291)236-127(62-70-151(215)269)179(297)238-129(65-73-157(276)277)181(299)230-120(49-36-40-79-211)174(292)237-128(64-72-156(274)275)180(298)229-118(47-34-38-77-209)172(290)235-126(61-69-150(214)268)178(296)234-125(60-68-149(213)267)171(289)226-113(25)168(286)225-114(26)169(287)242-140(95-152(216)270)193(311)249-141(96-153(217)271)192(310)233-123(52-43-82-223-208(220)221)177(295)243-134(88-102(8)9)186(304)245-136(90-104(12)13)188(306)247-138(92-106(16)17)190(308)250-143(98-161(284)285)195(313)260-167(115(27)265)203(321)259-166(206(324)325)112(24)33-5/h56-59,101-115,118-148,162-167,264-266H,29-55,60-100,209-212H2,1-28H3,(H2,213,267)(H2,214,268)(H2,215,269)(H2,216,270)(H2,217,271)(H,224,288)(H,225,286)(H,226,289)(H,227,272)(H,228,294)(H,229,298)(H,230,299)(H,231,300)(H,232,303)(H,233,310)(H,234,296)(H,235,290)(H,236,291)(H,237,292)(H,238,297)(H,239,293)(H,240,317)(H,241,318)(H,242,287)(H,243,295)(H,244,305)(H,245,304)(H,246,307)(H,247,306)(H,248,309)(H,249,311)(H,250,308)(H,251,315)(H,252,319)(H,253,312)(H,254,320)(H,255,301)(H,256,302)(H,257,314)(H,258,316)(H,259,321)(H,260,313)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,282,283)(H,284,285)(H,324,325)(H4,218,219,222)(H4,220,221,223)/t108-,109-,110-,111-,112-,113-,114-,115+,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,162-,163-,164-,165-,166-,167-/m0/s1

>  <InChI Key>
HDYYWUUHTPVVEU-AJBJNSAWSA-N

